3-(azepan-1-ylsulfonyl)-N-benzyl-N-(furan-2-ylmethyl)benzamide

C25H28N2O4S — CID 37429700

IUPAC3-(azepan-1-ylsulfonyl)-N-benzyl-N-(furan-2-ylmethyl)benzamide
SMILESO=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C25H28N2O4S/c28-25(26(20-23-13-9-17-31-23)19-21-10-4-3-5-11-21)22-12-8-14-24(18-22)32(29,30)27-15-6-1-2-7-16-27/h3-5,8-14,17-18H,1-2,6-7,15-16,19-20H2
InChIKeySZPPCCJJIDOROO-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.69
Rot. Bonds7

About 3-(azepan-1-ylsulfonyl)-N-benzyl-N-(furan-2-ylmethyl)benzamide

3-(azepan-1-ylsulfonyl)-N-benzyl-N-(furan-2-ylmethyl)benzamide (PubChem CID 37429700) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 3-(azepan-1-ylsulfonyl)-N-benzyl-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(azepan-1-ylsulfonyl)-N-benzyl-N-(furan-2-ylmethyl)benzamide
PubChem CID37429700
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name3-(azepan-1-ylsulfonyl)-N-benzyl-N-(furan-2-ylmethyl)benzamide
SMILESO=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C25H28N2O4S/c28-25(26(20-23-13-9-17-31-23)19-21-10-4-3-5-11-21)22-12-8-14-24(18-22)32(29,30)27-15-6-1-2-7-16-27/h3-5,8-14,17-18H,1-2,6-7,15-16,19-20H2
InChIKeySZPPCCJJIDOROO-UHFFFAOYSA-N
XLogP4.69
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 24980279
N-benzyl-N-(furan-2-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 37429678
N-benzyl-3-chloro-N-(furan-2-ylmethyl)benzamide
CID 772869
3-(azepan-1-ylsulfonyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 43028012
3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzyl-N-ethylbenzamide
CID 19257293
4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 99181571
N-(furan-2-ylmethyl)-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55452872
3-(azepan-1-ylsulfonyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 55981939
N-[(2-methylphenyl)methyl]-3-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 55983221
N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide
CID 9098546
N-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55614572
N-benzyl-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 9094422

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-ylsulfonyl)-N-benzyl-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-(azepan-1-ylsulfonyl)-N-benzyl-N-(furan-2-ylmethyl)benzamide (CID 37429700) is 3-(azepan-1-ylsulfonyl)-N-benzyl-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(azepan-1-ylsulfonyl)-N-benzyl-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-(azepan-1-ylsulfonyl)-N-benzyl-N-(furan-2-ylmethyl)benzamide is O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of 3-(azepan-1-ylsulfonyl)-N-benzyl-N-(furan-2-ylmethyl)benzamide?
The InChIKey is SZPPCCJJIDOROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c28-25(26(20-23-13-9-17-31-23)19-21-10-4-3-5-11-21)22-12-8-14-24(18-22)32(29,30)27-15-6-1-2-7-16-27/h3-5,8-14,17-18H,1-2,6-7,15-16,19-20H2.
What are the key properties of 3-(azepan-1-ylsulfonyl)-N-benzyl-N-(furan-2-ylmethyl)benzamide?
3-(azepan-1-ylsulfonyl)-N-benzyl-N-(furan-2-ylmethyl)benzamide has a molecular weight of 452.58 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-ylsulfonyl)-N-benzyl-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 37429700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).